7591-0600 Screening compound: N-{1-[(furan-2-yl)methyl]-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}-4-methylbenzene-1-sulfonamide

7591-0600 Screening compound: N-{1-[(furan-2-yl)methyl]-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}-4-methylbenzene-1-sulfonamide
7591-0600 Screening compound: N-{1-[(furan-2-yl)methyl]-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}-4-methylbenzene-1-sulfonamide alternative view

Chemical Structure Depiction of ChemDiv screening compound 7591-0600
N-{1-[(furan-2-yl)methyl]-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}-4-methylbenzene-1-sulfonamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

7591-0600

Molecular Formula

C19H15F3N4O6S (C19 H15 F3 N4 O6 S)

Compound Name

N-{1-[(furan-2-yl)methyl]-2,4,6-trioxo-5-(trifluoromethyl)-1H,2H,3H,4H,5H,6H,7H-pyrrolo[2,3-d]pyrimidin-5-yl}-4-methylbenzene-1-sulfonamide

IUPAC name

N-{1-[(furan-2-yl)methyl]-246-trioxo-5-(trifluoromethyl)-1H2H3H4H5H6H7H-pyrrolo[23-d]pyrimidin-5-yl}-4-methylbenzene-1-sulfonamide

SMILES

Cc(cc1)ccc1S(NC(C(F)(F)F)(C(C(N1)=O)=C(N2)N(Cc3ccco3)C1=O)C2=O)(=O)=O

InChI

InChI=1S/C19H15F3N4O6S/c1-10-4-6-12(7-5-10)33(30,31)25-18(19(20,21)22)13-14(23-16(18)28)26(17(29)24-15(13)27)9-11-3-2-8-32-11/h2-8,25H,9H2,1H3,(H,23,28)(H,24,27,29)/t18-/m0/s1

InChI Key

UOHKILMNUOYIDB-SFHVURJKSA-N

MDL Number (MFCD)

MFCD04179402

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

484.41

Hydrogen Bond Acceptors Count

12.00

Hydrogen Bond Donors Count

3.00

Rotatable Bond Count

6.00

Number of Nitrogen and Oxygen Atoms

10

Partition Coefficient, logP

2.200

Distribution Coefficient, logD

-1.224

Water Solubility, LogSw

-2.99

Polar Surface Area

115.521

Acid Dissociation Constant (pKa)

3.98

Base Dissociation Constant (pKb)

-8.65

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

21.10

References: we are preparing a list of scientific research reports with 7591-0600 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound 7591-0600?
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What is the minimum amount of 7591-0600 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for 7591-0600
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for 7591-0600
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of 7591-0600 available by request